SCHEMBL1304701

SCHEMBL1304701

CN(C)c1ccc(C(N)C(N)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 5/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 4/20 0.52
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
TP53 P04637 2/20 0.52
SLC2A1 P11166 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
DPP4 P27487 2/20 0.43
GAA P10253 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2136374 1.00 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL2137996 1.00 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL10349155 0.84 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL5322008 0.84 ALDH1A1 (0.53) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL4378374 0.82 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL21837184 0.82 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL24017026 0.80 DPP4 (0.40) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL12086997 0.78 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL8430520 0.78 ALDH1A1 (0.51) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL61574 0.78 SLC2A1 (0.71) ALDH1A1TSHRALOX15HSD17B10MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 EP disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP disclosed
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 US disclosed
US-9556108-B2 Process for preparing substituted phenylalkanes MALLINCKRODT LLC (US) 2017-01-31 US disclosed
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT ENTERPRISES LLC 2017-01-12 US disclosed
EP-1970360-B1 Method for producing alcohols TAKASAGO PERFUMERY CO LTD (JP) 2016-08-31 EP disclosed
US-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2016-01-14 US disclosed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
EP-2095875-A1 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2009-09-02 EP disclosed
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-27 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP disclosed
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 ALDH1A1 1327/4885TSHR 4495/4885ALOX15 126/4885
US-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES CYP2E1, CYP1B1, CYP4B1 ALDH1A1 285/4885TSHR 3551/4885ALOX15 648/4885
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES PNMT, CYP1B1, UGT2B7 ALDH1A1 462/4885TSHR 3233/4885ALOX15 2384/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 ALDH1A1 1221/4885TSHR 4453/4885ALOX15 157/4885
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX ALDH1A1 1512/4885TSHR 1192/4885ALOX15 67/4885
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone HSD17B1, ENO1, INF2 ALDH1A1 357/4885TSHR 3995/4885ALOX15 373/4885
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone ADH1C, ADH1A, ADH5 ALDH1A1 54/4885TSHR 867/4885ALOX15 2619/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 ALDH1A1 1327/4885TSHR 4495/4885ALOX15 126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.